trans-(1S,2S)-1-ethenyl-2-(1-methoxy-2-methylprop-1-enyl)cyclopropane

C10H16O — CID 67558410

IUPACtrans-(1S,2S)-1-ethenyl-2-(1-methoxy-2-methylprop-1-enyl)cyclopropane
SMILESC=C[C@@H]1C[C@@H]1C(OC)=C(C)C
InChIInChI=1S/C10H16O/c1-5-8-6-9(8)10(11-4)7(2)3/h5,8-9H,1,6H2,2-4H3/t8-,9+/m1/s1
InChIKeyWRTFUSABDUUQPU-BDAKNGLRSA-N
MW152.24 g/mol
LogP2.75
Rot. Bonds3

About trans-(1S,2S)-1-ethenyl-2-(1-methoxy-2-methylprop-1-enyl)cyclopropane

trans-(1S,2S)-1-ethenyl-2-(1-methoxy-2-methylprop-1-enyl)cyclopropane (PubChem CID 67558410) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is trans-(1S,2S)-1-ethenyl-2-(1-methoxy-2-methylprop-1-enyl)cyclopropane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-ethenyl-2-(1-methoxy-2-methylprop-1-enyl)cyclopropane
PubChem CID67558410
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Nametrans-(1S,2S)-1-ethenyl-2-(1-methoxy-2-methylprop-1-enyl)cyclopropane
SMILESC=C[C@@H]1C[C@@H]1C(OC)=C(C)C
InChIInChI=1S/C10H16O/c1-5-8-6-9(8)10(11-4)7(2)3/h5,8-9H,1,6H2,2-4H3/t8-,9+/m1/s1
InChIKeyWRTFUSABDUUQPU-BDAKNGLRSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-ethenyl-2-(1-methoxy-2-methylprop-1-enyl)cyclopropane?
The IUPAC name of trans-(1S,2S)-1-ethenyl-2-(1-methoxy-2-methylprop-1-enyl)cyclopropane (CID 67558410) is trans-(1S,2S)-1-ethenyl-2-(1-methoxy-2-methylprop-1-enyl)cyclopropane.
What is the SMILES notation for trans-(1S,2S)-1-ethenyl-2-(1-methoxy-2-methylprop-1-enyl)cyclopropane?
The canonical SMILES for trans-(1S,2S)-1-ethenyl-2-(1-methoxy-2-methylprop-1-enyl)cyclopropane is C=C[C@@H]1C[C@@H]1C(OC)=C(C)C.
What is the InChIKey of trans-(1S,2S)-1-ethenyl-2-(1-methoxy-2-methylprop-1-enyl)cyclopropane?
The InChIKey is WRTFUSABDUUQPU-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16O/c1-5-8-6-9(8)10(11-4)7(2)3/h5,8-9H,1,6H2,2-4H3/t8-,9+/m1/s1.
What are the key properties of trans-(1S,2S)-1-ethenyl-2-(1-methoxy-2-methylprop-1-enyl)cyclopropane?
trans-(1S,2S)-1-ethenyl-2-(1-methoxy-2-methylprop-1-enyl)cyclopropane has a molecular weight of 152.24 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-ethenyl-2-(1-methoxy-2-methylprop-1-enyl)cyclopropane is sourced from PubChem (CID 67558410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).